Methyl 3,12-dihydroxycholan-24-oate structure

Methyl 3,12-dihydroxycholan-24-oate

methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate

Also Known As: Methyl deoxycholate|Methyl desoxycholate|Methyl 7-Deoxycholate|Deoxycholic Acid Methyl Ester|Methyl 3,12-dihydroxycholan-24-oate|EINECS 221-819-1|Methyl 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate|Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-|Cholan-24-oic acid, 3,12-dihydroxy-, methyl ester, (3alpha,5beta,12alpha)- (9CI)|methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate|methyl 4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl}pentanoate|methyl 4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}pentanoate

CAS: 3245-38-3
Molecular Formula C25H42O4
Molecular Weight 406.30832 g/mol
LogP 4.57
Topological Polar Surface Area 66.76 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 406.30832
Heavy Atoms 29
Complexity 619.9

Chemical Identifiers

CAS Number 3245-38-3
SMILES CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Product Overview

Methyl 3,12-dihydroxycholan-24-oate (CAS 3245-38-3), with molecular formula C25H42O4 and molecular weight 406.30832 g/mol. IUPAC: methyl 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate.

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